HMDB0009954 RDKit 3D PIP(18:0/20:3(5Z,8Z,11Z)) 162162 0 0 0 0 0 0 0 0999 V2000 -2.6952 11.4516 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 10.0100 1.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6569 9.5286 2.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 8.0851 3.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 7.5213 3.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 7.6157 2.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 7.0595 3.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 5.5795 3.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 4.8885 2.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 4.0678 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 3.6933 3.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 2.2240 3.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 1.3447 3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 1.4808 2.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 2.7111 2.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8203 3.1321 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 2.3677 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0673 1.9662 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8815 1.2425 -1.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0755 0.0313 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7756 -0.4698 -2.7944 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 -0.5827 -0.5132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 -1.7390 -0.6579 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4574 -1.4192 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.3559 -0.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 -0.1138 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9818 1.0491 -1.0750 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1748 2.1419 -0.9058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3584 1.3368 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 0.2392 -0.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 0.5385 -0.1214 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7545 1.5300 1.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 -0.8857 0.4705 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7615 1.1065 -1.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 0.2274 -2.4663 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2206 0.9520 -3.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 1.8802 -3.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3117 1.7683 -4.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7922 2.3281 -5.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 0.9604 -4.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8265 1.0140 -6.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 -0.4636 -4.2237 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4224 -1.2357 -4.5189 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9709 -2.5716 -5.4495 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8692 -3.7911 -4.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 -2.8872 -6.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 -2.3344 -6.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0992 -0.3563 -2.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1048 0.4796 -2.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4483 -2.9063 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -2.6821 1.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -3.7400 2.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 -4.8206 1.5293 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 -3.5525 3.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 -4.5991 4.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -6.0124 4.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -6.9602 5.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 -6.9823 5.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 -7.4044 4.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 -6.7428 2.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -7.4496 2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 -6.9966 0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 -7.2038 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -6.7797 -1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 -5.3354 -1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -4.8606 -3.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -5.0488 -4.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 -4.4872 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 -4.9503 -3.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4108 -4.1617 -3.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 11.5670 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 11.8226 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 12.0819 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 9.9431 2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 9.3580 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 10.1304 3.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 9.6366 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 7.4858 2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8259 7.9663 3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 6.4807 4.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 8.1244 4.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 8.6901 2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3411 7.0577 1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6229 7.2759 2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 7.6469 4.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 5.3500 4.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6895 5.3091 4.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 5.1018 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 3.6189 1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 4.0267 2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 4.2084 4.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 1.8746 3.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 0.2663 3.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2834 0.9323 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 0.7200 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 3.3754 3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 4.1192 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3194 3.1090 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0254 1.5442 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5732 1.3176 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7071 2.8657 -0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8955 0.9834 -2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 1.9130 -2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7085 -1.9914 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 -2.3305 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5335 -1.2117 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -1.0433 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 0.2044 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 0.7414 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 1.9359 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 2.2376 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 1.5407 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 -1.0296 1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 -0.6119 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 0.2512 -4.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3354 1.4130 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5791 2.5846 -3.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 2.3064 -5.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 1.3437 -4.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 1.1909 -6.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 -0.9385 -4.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2355 -2.0835 -7.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 -2.8820 -5.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 -1.3799 -2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 0.3953 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -3.8495 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4531 -3.0943 -0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4827 -3.4108 3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 -2.5520 3.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -4.3746 5.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 -4.5605 4.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 -6.3570 3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3252 -6.1062 4.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 -6.7641 6.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 -7.9973 4.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 -7.6023 6.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -5.9343 5.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1606 -7.3959 4.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 -8.5272 3.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 -5.6690 2.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -6.9838 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 -7.3333 2.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -8.5400 2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -5.9223 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -7.5185 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -8.3151 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8602 -6.6650 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 -7.0835 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -7.4280 -1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9742 -4.6782 -1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -5.2299 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -5.3204 -3.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4161 -3.7719 -2.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 -4.6103 -5.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -6.1482 -4.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 -3.3640 -4.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 -4.7260 -5.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9757 -4.7983 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 -6.0371 -3.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0244 -4.7604 -4.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -3.2162 -4.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9353 -3.8323 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 42 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 48 35 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 3 77 1 0 4 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 6 83 1 0 7 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 23104 1 6 24105 1 0 24106 1 0 26107 1 0 26108 1 0 27109 1 6 28110 1 0 29111 1 0 29112 1 0 33113 1 0 35114 1 1 36115 1 0 37116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 42121 1 6 46122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 61142 1 0 61143 1 0 62144 1 0 62145 1 0 63146 1 0 63147 1 0 64148 1 0 64149 1 0 65150 1 0 65151 1 0 66152 1 0 66153 1 0 67154 1 0 67155 1 0 68156 1 0 68157 1 0 69158 1 0 69159 1 0 70160 1 0 70161 1 0 70162 1 0 M END